[(1S)-2-oxidanylidenecyclohexyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7/c20-12-6-1-2-7-13(12)26-14(21)8-9-18-16(22)10-4-3-5-11(19(24)25)15(10)17(18)23/h3-5,13H,1-2,6-9H2/t13-/m0/s1